N-[(3-chlorophenyl)methyl]-1-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-1-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
N-[(3-chlorophenyl)methyl]-1-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E216-5646 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-1-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C25 H30 Cl N3 O3 |
| Smiles: | CCC1CN(C(N2CCC(CC2)C(NCc2cccc(c2)[Cl])=O)=O)c2cc(C)ccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5451 |
| logD: | 4.5451 |
| logSw: | -4.5114 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.013 |
| InChI Key: | PDYUXBSXOBSNPX-OAQYLSRUSA-N |